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Home> Hot Product Listed 4   > 4-(3,4-dichlorophenyl)-n-(2-methoxyphenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclope...
133046-46-5 structure

4-(3,4-dichlorophenyl)-n-(2-methoxyphenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide

Iupac Name:ethyl 2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CAS No.:133046-46-5
Molecular Weight:225.185
Molecular Formula:C11H12N4O3S (isomer)
Names and Identifiers
Synonyms

2-(3,4-dichlorophenyl)-n-(2-methoxyphenyl)-6-(4-methoxyphenyl)-1,4-diazatricyclo[5.4.1.0?,(1)(2)]dodeca-2,5,7(12)-triene-5-carboxamide AKOS005710293 BG00871888 MCULE-4094296417 MOLPORT-000-787-435 STL057281 STOCK7S-02854 ZINC98000361

Inchi
InChI=1S/C7H6F3NO2S/c1-2-13-5(12)4-3-14-6(11-4)7(8,9)10/h3H,2H2,1H3
InChkey
WFUNYBAJYAWHLX-UHFFFAOYSA-N
Canonical Smiles
CCOC(=O)C1=CSC(=N1)C(F)(F)F
Properties
Vapour
0.433mmHg at 25°C
Refractive Index
1.463
Computational chemical data
  • Molecular Weight:225.185g/mol
  • Molecular Formula:C11H12N4O3S
  • Compound Is Canonicalized:True
  • Exact Mass:225.007
  • Monoisotopic Mass:225.007
  • Complexity:222
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:67.4A^2
  • Heavy Atom Count:14
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBiMYBAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHwQAAAAACAil1hKiiRIIFAis AQTyTAQA8KBHCjgAABWQKEACBAAgICgDAAAAAACwIIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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